Glycoside
...
GD119300

Name:
1-(7-{[4,5-dihydroxy-3-({4-hydroxy-6-methyl-3,5-bis[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-6-(hydroxymethyl)oxan-2-yl]oxy}-11a-methyl-3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl)ethan-1-one

Formula:
C44H68O19

Smiles:
CC(=O)C1=CCC2C3CCC4=CC(OC5OC(CO)C(O)C(O)C5OC5OC(C)C(OC6OC(C)C(O)C(O)C6O)C(O)C5OC5OC(C)C(O)C(O)C5O)CCC4C3CCC12C

Aglycone:
CC(=O)C1=CCC2C3CCC4=CC(O)CCC4C3CCC12C

Sugarmoiety:
CC1OC(OC2C(C)OC(OC3C(O)OC(CO)C(O)C3O)C(OC3OC(C)C(O)C(O)C3O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 19 RingCount: 8
HBD: 10 FractionCSP3: 0.89
AlogP: -1.58 Num_rotatable_bonds: 10
MolWt: 901.01 Num_heavy_atoms: 63
TPSA: 293.21 NumAromaticRings: 0

Unique Aglycone
AD47769
Formula: C20H28O2

Smiles:
CC(=O)C1=CCC2C3CCC4=CC(O)CCC4C3CCC12C
HBA: 2 RingCount: 4
HBD: 1 FractionCSP3: 0.75
AlogP: 4.05 Num_rotatable_bonds: 1
MolWt: 300.44 Num_heavy_atoms: 22
TPSA: 37.3 NumAromaticRings: 0

Sugarmoiety
SD05425

CC1OC(OC2C(C)OC(OC3C(O)OC(CO)C(O)C3O)C(OC3OC(C)C(O)C(O)C3O)C2O)C(O)C(O)C1O